4RW5

Structural insights into substrate binding of brown spider venom class II phospholipases D

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Phospholipase D LiSicTox-alphaIA1bii	polymer	302	33672.6	1	UniProt (P0CE82) Pfam (PF13653)	Loxosceles intermedia (Brown spider)	PLD, Dermonecrotic toxin, Loxtox i4, Sphingomyelin phosphodiesterase D 1, SMD 1, SMase D 1, Sphingomyelinase D 1
2	B (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	C (A)	PALMITIC ACID	non-polymer		256.4	1	Chemie (PLM)
4	D (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	E (A)	N-TRIDECANOIC ACID	non-polymer		214.3	1	Chemie (TDA)
6	F (A)	OCTANOIC ACID (CAPRYLIC ACID)	non-polymer		144.2	1	Chemie (OCA)
7	G (A)	water	water		18.0	84	Chemie (HOH)

Sequence modifications

A: 2 - 280 (UniProt: P0CE82)

PDB	External Database	Details
Met -21	-	expression tag
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Val -7	-	expression tag
Pro -6	-	expression tag
Arg -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
His -2	-	expression tag
Met -1	-	expression tag
Leu 0	-	expression tag
Glu 1	-	expression tag
Ala 12	His 34	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33672.6
Non-Polymers*	Number of molecules	5
	Total formula weight	731.4
All*	Total formula weight	34404.0

*Water molecules are not included.